HRID113654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)O)c(C)sc5c4)c3s2)C1

HCID178493249

未命名化合物

PRODUCTS

生成物

结构：COC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NCCO)c(C)sc5c4)c3s2)C1

HCID178493248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6a2c1e599f3462ca8c86642d921534e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][CH:3]1[CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[n:13][cH:14][cH:15][c:16]([O:19][c:20]4[cH:21][cH:22][c:23]5[c:24]([s:25][c:26]([CH3:31])[c:27]5[C:28](=[O:29])[OH:30])[cH:32]4)[c:17]3[s:18]2)[CH2:6][CH2:7]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[NH2:33][CH2:34][CH2:35][OH:36].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH3:1][O:2][CH:3]1[CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[n:13][cH:14][cH:15][c:16]([O:19][c:20]4[cH:21][cH:22][c:23]5[c:24]([s:25][c:26]([CH3:31])[c:27]5[C:28](=[O:30])[NH:33][CH2:34][CH2:35][OH:36])[cH:32]4)[c:17]3[s:18]2)[CH2:6][CH2:7]1